2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol

C19H20F3N5O — CID 67949839

IUPAC2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)14-6-7-15(27-10-2-1-4-12(27)8-11-28)24-17(14)16-13-5-3-9-23-18(13)26-25-16/h3,5-7,9,12,28H,1-2,4,8,10-11H2,(H,23,25,26)
InChIKeyXCLIRWYRLORVQW-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.78
Rot. Bonds4

About 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol

2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol (PubChem CID 67949839) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol
PubChem CID67949839
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)14-6-7-15(27-10-2-1-4-12(27)8-11-28)24-17(14)16-13-5-3-9-23-18(13)26-25-16/h3,5-7,9,12,28H,1-2,4,8,10-11H2,(H,23,25,26)
InChIKeyXCLIRWYRLORVQW-UHFFFAOYSA-N
XLogP3.78
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol (CID 67949839) is 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol is OCCC1CCCCN1c1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1.
What is the InChIKey of 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol?
The InChIKey is XCLIRWYRLORVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)14-6-7-15(27-10-2-1-4-12(27)8-11-28)24-17(14)16-13-5-3-9-23-18(13)26-25-16/h3,5-7,9,12,28H,1-2,4,8,10-11H2,(H,23,25,26).
What are the key properties of 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol?
2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol has a molecular weight of 391.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 67949839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).